N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide

C14H22FN3O — CID 154026015

IUPACN-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
SMILESCN(C)CCCCCCNC(=O)c1ccc([18F])nc1
InChIInChI=1S/C14H22FN3O/c1-18(2)10-6-4-3-5-9-16-14(19)12-7-8-13(15)17-11-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,19)/i15-1
InChIKeyWFRVSVZKCRTTPR-HUYCHCPVSA-N
MW266.35 g/mol
LogP2.07
Rot. Bonds8

About N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide

N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide (PubChem CID 154026015) has the molecular formula C14H22FN3O and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
PubChem CID154026015
Molecular FormulaC14H22FN3O
Molecular Weight266.35 g/mol
Exact Mass266.18
IUPAC NameN-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
SMILESCN(C)CCCCCCNC(=O)c1ccc([18F])nc1
InChIInChI=1S/C14H22FN3O/c1-18(2)10-6-4-3-5-9-16-14(19)12-7-8-13(15)17-11-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,19)/i15-1
InChIKeyWFRVSVZKCRTTPR-HUYCHCPVSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide
CID 154026060
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide
CID 103719344
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
N-(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63978782
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide?
The IUPAC name of N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide (CID 154026015) is N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide is CN(C)CCCCCCNC(=O)c1ccc([18F])nc1.
What is the InChIKey of N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide?
The InChIKey is WFRVSVZKCRTTPR-HUYCHCPVSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-18(2)10-6-4-3-5-9-16-14(19)12-7-8-13(15)17-11-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,19)/i15-1.
What are the key properties of N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide?
N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide is sourced from PubChem (CID 154026015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).